6P9V

Crystal Structure of hMAT Mutant K289L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-06
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	I 2 2 2
Unit cell lengths	66.348, 94.624, 116.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.740 - 2.051
R-factor	0.1741
Rwork	0.173
R-free	0.20290
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2p02
RMSD bond length	0.002
RMSD bond angle	0.642
Data reduction software	XDS (VERSION Jun 1, 2017 BUILT=20170923)
Data scaling software	XDS (VERSION Jun 1, 2017 BUILT=20170923)
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.742	39.742	2.139
High resolution limit [Å]	2.051	6.423	2.051
Rmerge	0.194	0.047	1.861
Rmeas	0.207	0.051	1.988
Rpim		0.018	0.683
Total number of observations	146211
Number of reflections	16840	841	842
<I/σ(I)>	9.29	30.746	1.18
Completeness [%]	72.0
Redundancy	8.68	7.46	7.94
CC(1/2)	0.996	0.997	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2M KCl, 0.05M HEPES, 35% (v/v) Pentaeythritol propoxylate (5/4 PO/OH), PROTEIN BUFFER ADDITIVES: 0.002M ADP, 0.005M magnesium chloride, 0.010M metol -- [(S)-(-)-methioninol]