2GU4

E. coli methionine aminopeptidase in complex with NleP, 1: 0.5, di-metalated

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-08-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	49.704, 64.034, 76.347
Unit cell angles	90.00, 108.10, 90.00

Refinement procedure

Resolution	14.853 - 1.800
R-factor	0.206
Rwork	0.195
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xnz
RMSD bond length	0.005
RMSD bond angle	1.284
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	14.980	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge	0.065	0.031	0.292
Total number of observations		4797	21436
Number of reflections	42210
<I/σ(I)>	10.6	12.5	2.6
Completeness [%]	99.7	94.5	99.6
Redundancy	3.6	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	15% PEG 20000, 0.1 M MES (pH 6.5) , VAPOR DIFFUSION, HANGING DROP, temperature 291K