2Q93

E. coli methionine aminopeptidase Mn-form with inhibitor B21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	39.107, 62.340, 52.441
Unit cell angles	90.00, 108.80, 90.00

Refinement procedure

Resolution	19.940 - 1.600
Rwork	0.226
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xnz
RMSD bond length	0.005
RMSD bond angle	1.320
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]	19.940	19.940	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge	0.030	0.027	0.099
Total number of observations		3639	13683
Number of reflections	29294
<I/σ(I)>	15.9	20.8	4.7
Completeness [%]	93.2	97.7	88.7
Redundancy	3.7	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	10-15% PEG 20000, 0.1 M MES (pH 6.5), vapor diffusion, hanging drop, temperature 291K