8TN2

Structure of S. hygroscopicus aminotransferase MppQ complexed with pyridoxal-5'-phosphate (PLP)

Replaces:  7UKX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	47.730, 114.500, 133.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.100 - 1.750
R-factor	0.1452
Rwork	0.144
R-free	0.17020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.843
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.430	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.120	0.729
Rmeas	0.132	0.806
Rpim	0.054	0.336
Total number of observations	405573	20157
Number of reflections	73140	3800
<I/σ(I)>	10.1	2.3
Completeness [%]	98.3
Redundancy	5.5	5.3
CC(1/2)	0.995	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	15-25 % PEG 3350, and 0.1-0.2 M ammonium citrate trihydrate, trilithium citrate, or ammonium sulfate