5WEQ

The crystal structure of a MR78 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 31 2 1
Unit cell lengths	117.177, 117.177, 92.104
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.434 - 2.000
R-factor	0.1873
Rwork	0.186
R-free	0.21520
RMSD bond length	0.008
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Rmerge	0.077
Number of reflections	50000
<I/σ(I)>	9.8
Completeness [%]	99.6
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	4.0 - 4.5 M NaCl, 0.1 M HEPES, pH7.5